REMARK  Name = BDB049809
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.415  -1.865   0.640  0.00  0.00    +0.096 C 
ATOM      2  N   LIG    1       -1.873  -0.501   1.003  0.00  0.00    -0.261 N 
ATOM      3  C   LIG    1       -2.697   0.261   0.192  0.00  0.00    +0.404 C 
ATOM      4  O   LIG    1       -2.983   1.427   0.431  0.00  0.00    -0.226 OA
ATOM      5  C   LIG    1       -1.173   0.148   2.109  0.00  0.00    +0.130 C 
ATOM      6  C   LIG    1        0.344   0.147   1.853  0.00  0.00    +0.127 C 
ATOM      7  N   LIG    1        0.850  -1.171   1.418  0.00  0.00    -0.292 N 
ATOM      8  C   LIG    1        1.944  -1.292   0.544  0.00  0.00    +0.282 C 
ATOM      9  O   LIG    1        2.051  -2.266  -0.201  0.00  0.00    -0.267 OA
ATOM     10  C   LIG    1       -0.140  -2.258   1.431  0.00  0.00    +0.130 C 
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1        2.949  -0.240   0.591  0.00  0.00    +0.195 A 
ATOM     12  N   LIG    1        3.485   0.299   1.736  0.00  0.00    -0.334 N 
ATOM     13  H   LIG    1        3.248   0.017   2.676  0.00  0.00    +0.168 HD
ATOM     14  C   LIG    1        4.411   1.248   1.385  0.00  0.00    +0.067 A 
ATOM     15  C   LIG    1        4.424   1.225  -0.007  0.00  0.00    +0.102 A 
ATOM     16  C   LIG    1        5.294   2.093  -0.696  0.00  0.00    +0.064 A 
ATOM     17  C   LIG    1        6.115   2.953   0.057  0.00  0.00    +0.015 A 
ATOM     18  C   LIG    1        6.076   2.948   1.454  0.00  0.00    +0.003 A 
ATOM     19  C   LIG    1        5.220   2.090   2.151  0.00  0.00    +0.028 A 
ATOM     20  N   LIG    1        3.520   0.289  -0.476  0.00  0.00    -0.223 NA
BRANCH  16  21
ATOM     21  C   LIG    1        5.371   2.124  -2.175  0.00  0.00    +0.244 C 
ATOM     22  O   LIG    1        6.123   2.896  -2.760  0.00  0.00    -0.270 OA
ATOM     23  N   LIG    1        4.576   1.257  -2.866  0.00  0.00    -0.325 N 
ATOM     24  H   LIG    1        4.628   1.237  -3.874  0.00  0.00    +0.145 HD
ATOM     25  H   LIG    1        3.972   0.593  -2.385  0.00  0.00    +0.145 HD
ENDBRANCH  16  21
ENDBRANCH   8  11
BRANCH   1  27
ATOM     26  C   LIG    1       -3.115  -3.031   2.196  0.00  0.00    +0.006 C 
ATOM     27  C   LIG    1       -2.525  -2.924   0.796  0.00  0.00    +0.021 C 
ENDBRANCH   1  27
BRANCH   3  28
ATOM     28  O   LIG    1       -3.132  -0.431  -0.889  0.00  0.00    -0.445 OA
BRANCH  28  29
ATOM     29  C   LIG    1       -4.000   0.181  -1.877  0.00  0.00    +0.107 C 
ATOM     30  C   LIG    1       -4.248  -0.927  -2.912  0.00  0.00    +0.055 C 
ATOM     31  C   LIG    1       -5.344   0.586  -1.262  0.00  0.00    +0.055 C 
ATOM     32  C   LIG    1       -3.308   1.357  -2.574  0.00  0.00    +0.055 C 
ENDBRANCH  28  29
ENDBRANCH   3  28
TORSDOF 5